MD data for "Molecular basis for non-canonical transcription initiation from Np4A alarmones"
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MD Simulation data for the Publication “Molecular basis for noncanonical transcription initiation from Np4A alarmones” (Nature Chemical Biology) All trajectory and topology files for the 9 simulation systems used in this study are provided. Each file name corresponds to a specific simulation system, as outlined below: Gp4A_minus1_DC.tar.gz: Gp₄A(–1dC) system Gp4AC_minus1_DC.tar.gz: Gp₄A-C(-1dC) system Gp4ACU_minus1_DC.tar.gz: Gp₄A-C-U(-1dC) system Ap4AC_minus1_DC.tar.gz: Ap₄A-C(-1dC) system Ap4AC_minus1_DA.tar.gz: Ap₄A-C(-1dA) system Ap4A_minus1_DC.tar.gz: Ap₄A(-1dC) system Up4A_minus1_DA.tar.gz: Up₄A(-1dA) system Up4AC_minus1_DC.tar.gz: Up₄A-C(-1dC) system Up4AC_minus1_DA.tar.gz: Up₄A-C(-1dA) system Each system includes 4 replicas, with trajectories organized in folders named "0" through "3" under the trajectories directory. Due to file size limitations, only solute trajectories are included, saved at 100 ps intervals. Additionally, base-pairing center-of-mass distances and base-pairing angles are provided, saved every 20 ps. For further information, please contact: wu678@wisc.edu.
